5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide

C10H21NO4S — CID 79555291

IUPAC5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCO)S(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-10(2,16(3,14)15)8-11-9(13)6-4-5-7-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyLPRYHDCHNHTHJO-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.09
Rot. Bonds7

About 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide

5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide (PubChem CID 79555291) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
PubChem CID79555291
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCO)S(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-10(2,16(3,14)15)8-11-9(13)6-4-5-7-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyLPRYHDCHNHTHJO-UHFFFAOYSA-N
XLogP0.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The IUPAC name of 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide (CID 79555291) is 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide is CC(C)(CNC(=O)CCCCO)S(C)(=O)=O.
What is the InChIKey of 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
The InChIKey is LPRYHDCHNHTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,16(3,14)15)8-11-9(13)6-4-5-7-12/h12H,4-8H2,1-3H3,(H,11,13).
What are the key properties of 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide?
5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide has a molecular weight of 251.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide is sourced from PubChem (CID 79555291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).